data_4317 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; 1H, 13C, and 15N Chemical Shift Assignments for NS1(1-73) ; _BMRB_accession_number 4317 _BMRB_flat_file_name bmr4317.str _Entry_type original _Submission_date 1999-03-12 _Accession_date 1999-03-12 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details . loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Chien Chen-ya . . 2 Montelione Gaetano T. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 448 "13C chemical shifts" 303 "15N chemical shifts" 85 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 1999-06-11 original author 'original release' 2004-12-07 update BMRB 'update entry citation' stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'A novel RNA-binding motif in influenza A virus non-structural protein 1' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID ? loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Chien Chen-ya . . 2 Tejero R. . . 3 Huang Y. . . 4 Zimmerman D. E. . 5 Rios C. B. . 6 Krug R. M. . 7 Montelione Gaetano T. . stop_ _Journal_abbreviation 'Nat. Struct. Biol.' _Journal_volume 4 _Journal_issue . _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 891 _Page_last . _Year 1997 _Details . save_ ################################## # Molecular system description # ################################## save_NS1(1-73)_dimer _Saveframe_category molecular_system _Mol_system_name 'NS1(1-73) dimer' _Abbreviation_common NS1(1-73) _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'NS1(1-73) subunit 1' $NS1(1-73) 'NS1(1-73) subunit 2' $NS1(1-73) stop_ _System_molecular_weight 16600 _System_physical_state native _System_oligomer_state dimer _System_paramagnetic no _System_thiol_state . loop_ _Magnetic_equivalence_ID _Magnetically_equivalent_system_component 1 'NS1(1-73) subunit 1' 1 'NS1(1-73) subunit 2' stop_ loop_ _Biological_function 'Double-stranded RNA binding protein' 'Inhibit RNA splicing' stop_ _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_NS1(1-73) _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'Non-structural protein 1' _Abbreviation_common NS1(1-73) _Molecular_mass 8300 _Mol_thiol_state . _Details 'Molecular weight of monomer is 8300 Da.' ############################## # Polymer residue sequence # ############################## _Residue_count 73 _Mol_residue_sequence ; MDSNTVSSFQVDCFLWHVRK QVVDQELGDAPFLDRLRRDQ KSLRGRGSTLGLNIEAATHV GKQIVEKILKEES ; loop_ _Residue_seq_code _Residue_label 1 MET 2 ASP 3 SER 4 ASN 5 THR 6 VAL 7 SER 8 SER 9 PHE 10 GLN 11 VAL 12 ASP 13 CYS 14 PHE 15 LEU 16 TRP 17 HIS 18 VAL 19 ARG 20 LYS 21 GLN 22 VAL 23 VAL 24 ASP 25 GLN 26 GLU 27 LEU 28 GLY 29 ASP 30 ALA 31 PRO 32 PHE 33 LEU 34 ASP 35 ARG 36 LEU 37 ARG 38 ARG 39 ASP 40 GLN 41 LYS 42 SER 43 LEU 44 ARG 45 GLY 46 ARG 47 GLY 48 SER 49 THR 50 LEU 51 GLY 52 LEU 53 ASN 54 ILE 55 GLU 56 ALA 57 ALA 58 THR 59 HIS 60 VAL 61 GLY 62 LYS 63 GLN 64 ILE 65 VAL 66 GLU 67 LYS 68 ILE 69 LEU 70 LYS 71 GLU 72 GLU 73 SER stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-07-14 loop_ _Database_name _Database_accession_code _Database_entry_mol_name _Sequence_query_to_submitted_percentage _Sequence_subject_length _Sequence_identity _Sequence_positive _Sequence_homology_expectation_value BMRB 15117 NS1A 100.00 73 100.00 100.00 5.67e-45 PDB 1AIL "N-Terminal Fragment Of Ns1 Protein From Influenza A Virus" 98.63 73 100.00 100.00 3.38e-44 PDB 1NS1 "Rna-Binding Domain Of Non-Structural Protein 1 From Influenza Virus, Nmr, 16 Structures" 98.63 73 100.00 100.00 6.86e-44 DBJ BAA01428 "NS1 protein [Influenza A virus (A/Aichi/2/68 (Ao))]" 100.00 237 97.26 98.63 5.11e-42 EMBL CAA24288 "NS1 protein [Influenza A virus (A/Udorn/8/1972(H3N2))]" 100.00 237 100.00 100.00 1.19e-43 EMBL CAC09426 "nonstructural protein 1 [Influenza A virus (A/England/939/69 x A/PR/8/34)]" 100.00 237 97.26 98.63 6.48e-42 GB AAA43086 "nonstructural protein 1 [Influenza A virus (A/Aichi/2/1968(H3N2))]" 100.00 237 97.26 98.63 5.11e-42 GB AAA43515 "non-structural protein NS1 [Influenza A virus (A/Alaska/6/1977(H3N2))]" 100.00 237 97.26 100.00 2.24e-42 GB AAA43688 "nonstructural protein 1 [Influenza A virus (A/Wa-182(H3N2))]" 100.00 237 97.26 98.63 5.11e-42 GB AAC36136 "nonstructural protein [Influenza A virus (A/swine/Colorado/1/1977(H3N2))]" 100.00 237 97.26 100.00 1.12e-42 GB AAC36138 "nonstructural protein [Influenza A virus (A/swine/Italy/1850/1977(H3N2))]" 100.00 230 98.63 100.00 4.56e-43 PRF 2005320B "nonstructural protein 1 [Influenza A virus]" 100.00 237 97.26 98.63 5.11e-42 PRF 2005320D "nonstructural protein 1 [Influenza A virus]" 100.00 237 97.26 98.63 5.11e-42 SP P03494 "RecName: Full=Non-structural protein 1; Short=NS1; AltName: Full=NS1A" 100.00 237 97.26 100.00 2.24e-42 SP P03495 "RecName: Full=Non-structural protein 1; Short=NS1; AltName: Full=NS1A" 100.00 237 100.00 100.00 1.19e-43 SP P69277 "RecName: Full=Non-structural protein 1; Short=NS1; AltName: Full=NS1A" 100.00 237 97.26 98.63 5.11e-42 SP P69278 "RecName: Full=Non-structural protein 1; Short=NS1; AltName: Full=NS1A" 100.00 237 97.26 98.63 5.11e-42 SP Q1PUD3 "RecName: Full=Non-structural protein 1; Short=NS1; AltName: Full=NS1A" 100.00 237 98.63 100.00 8.96e-43 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species _Strain $NS1(1-73) 'Flu Virus' 11320 Viruses . 'Influenza virus A and B group' 'Influenza A Virus' Udorn30772 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Vector_name $NS1(1-73) 'recombinant technology' . . . . . stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $NS1(1-73)_dimer 2.0 mM . NH4)Ac 50 mM . D2O 5 % . H2O 95 % . stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $NS1(1-73)_dimer 2.5 mM '[U-100% 15N]' NH4)Ac 50 mM . D2O 5 % . H2O 95 % . stop_ save_ save_sample_3 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $NS1(1-73)_dimer 2.0 mM '[U-100% 15N; U-100% 13C]' NH4)Ac 50 mM . D2O 5 % . H2O 95 % . stop_ save_ ############################ # Computer software used # ############################ save_vnmr _Saveframe_category software _Name vnmr _Version 5.3 loop_ _Task 'Data processing' stop_ _Details . save_ save_NMRcompass _Saveframe_category software _Name NMRcompass _Version . loop_ _Task 'Spectra analysis and peakpicking' stop_ _Details . save_ save_AUTOASSIGN _Saveframe_category software _Name AUTOASSIGN _Version . loop_ _Task '1H, 13C, 15N resonance assignment' ; Software developed in Montelione lab [Zimmerman et al. (1997) J. Mol. Biol. 269:592-610] for automating the peak assignment ; stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model . _Field_strength 500 _Details . save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model . _Field_strength 600 _Details . save_ ############################# # NMR applied experiments # ############################# save_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '1H-15N HSQC' _Sample_label . save_ save_HNCO_2 _Saveframe_category NMR_applied_experiment _Experiment_name HNCO _Sample_label . save_ save_CANH_3 _Saveframe_category NMR_applied_experiment _Experiment_name CANH _Sample_label . save_ save_CA(CO)NH_4 _Saveframe_category NMR_applied_experiment _Experiment_name CA(CO)NH _Sample_label . save_ save_H(CA)NH_5 _Saveframe_category NMR_applied_experiment _Experiment_name H(CA)NH _Sample_label . save_ save_H(CA)(CO)NH_6 _Saveframe_category NMR_applied_experiment _Experiment_name H(CA)(CO)NH _Sample_label . save_ save_CBCANH_7 _Saveframe_category NMR_applied_experiment _Experiment_name CBCANH _Sample_label . save_ save_CBCA(CO)NH_8 _Saveframe_category NMR_applied_experiment _Experiment_name CBCA(CO)NH _Sample_label . save_ save_HCC(CO)NH-TOCSY_9 _Saveframe_category NMR_applied_experiment _Experiment_name HCC(CO)NH-TOCSY _Sample_label . save_ save_HCCH-COSY_10 _Saveframe_category NMR_applied_experiment _Experiment_name HCCH-COSY _Sample_label . save_ save_4_channel_probe_with_pulse_field_gradient_11 _Saveframe_category NMR_applied_experiment _Experiment_name '4 channel probe with pulse field gradient' _Sample_label . save_ ####################### # Sample conditions # ####################### save_condition_1 _Saveframe_category sample_conditions _Details 'All samples were in H2O solvent containing 50 mM NH4OAc, 1 mM NaN3, 5% D2O' loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 6.0 0.1 na temperature 293 0.1 K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio _Indirect_shift_ratio_citation_label _Correction_value_citation_label DSS C 13 'methyl protons' ppm 0.0 . indirect . . . 0.251449530 $entry_citation $entry_citation DSS H 1 'methyl protons' ppm 0.0 internal direct . . . 1.000000000 $entry_citation $entry_citation DSS N 15 'methyl protons' ppm 0.0 . indirect . . . 0.101329118 $entry_citation $entry_citation stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_shift_set_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Sample_label $sample_1 $sample_2 $sample_3 stop_ _Sample_conditions_label $condition_1 _Chem_shift_reference_set_label $chemical_shift_reference _Mol_system_component_name 'NS1(1-73) subunit 1' _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 . 1 MET HA H 4.12 0.02 1 2 . 1 MET HB2 H 2.10 0.02 1 3 . 1 MET HB3 H 2.10 0.02 1 4 . 1 MET HG2 H 2.53 0.02 1 5 . 1 MET HG3 H 2.53 0.02 1 6 . 1 MET HE H 1.53 0.02 1 7 . 1 MET C C 174.6 0.1 1 8 . 1 MET CA C 54.5 0.1 1 9 . 1 MET CB C 32.7 0.1 1 10 . 1 MET CG C 32.7 0.1 1 11 . 1 MET CE C 27.2 0.1 1 12 . 2 ASP H H 8.96 0.02 1 13 . 2 ASP HA H 4.80 0.02 1 14 . 2 ASP HB2 H 2.71 0.02 2 15 . 2 ASP HB3 H 2.83 0.02 2 16 . 2 ASP C C 178.0 0.1 1 17 . 2 ASP CA C 54.2 0.1 1 18 . 2 ASP CB C 41.7 0.1 1 19 . 2 ASP N N 125.7 0.1 1 20 . 3 SER H H 8.93 0.02 1 21 . 3 SER HA H 4.28 0.02 1 22 . 3 SER HB2 H 3.97 0.02 2 23 . 3 SER HB3 H 4.04 0.02 2 24 . 3 SER C C 177.5 0.1 1 25 . 3 SER CA C 60.1 0.1 1 26 . 3 SER CB C 63.3 0.1 1 27 . 3 SER N N 119.1 0.1 1 28 . 4 ASN H H 8.90 0.02 1 29 . 4 ASN HA H 4.77 0.02 1 30 . 4 ASN HB2 H 2.53 0.02 1 31 . 4 ASN HB3 H 2.53 0.02 1 32 . 4 ASN HD21 H 6.56 0.02 2 33 . 4 ASN HD22 H 7.00 0.02 2 34 . 4 ASN C C 179.0 0.1 1 35 . 4 ASN CA C 53.9 0.1 1 36 . 4 ASN CB C 35.8 0.1 1 37 . 4 ASN N N 120.3 0.1 1 38 . 4 ASN ND2 N 110.0 0.1 1 39 . 5 THR H H 8.12 0.02 1 40 . 5 THR HA H 4.38 0.02 1 41 . 5 THR HB H 4.17 0.02 1 42 . 5 THR HG2 H 1.34 0.02 1 43 . 5 THR C C 178.4 0.1 1 44 . 5 THR CA C 65.6 0.1 1 45 . 5 THR CB C 69.2 0.1 1 46 . 5 THR CG2 C 22.1 0.1 1 47 . 5 THR N N 123.2 0.1 1 48 . 6 VAL H H 7.66 0.02 1 49 . 6 VAL HA H 3.54 0.02 1 50 . 6 VAL HB H 2.29 0.02 1 51 . 6 VAL HG1 H 0.92 0.02 2 52 . 6 VAL HG2 H 1.03 0.02 2 53 . 6 VAL C C 178.6 0.1 1 54 . 6 VAL CA C 67.3 0.1 1 55 . 6 VAL CB C 31.3 0.1 1 56 . 6 VAL CG1 C 20.2 0.1 2 57 . 6 VAL CG2 C 22.3 0.1 2 58 . 6 VAL N N 124.3 0.1 1 59 . 7 SER H H 8.49 0.02 1 60 . 7 SER HA H 4.70 0.02 1 61 . 7 SER HB2 H 3.82 0.02 1 62 . 7 SER HB3 H 3.82 0.02 1 63 . 7 SER C C 178.5 0.1 1 64 . 7 SER CA C 61.1 0.1 1 65 . 7 SER CB C 62.2 0.1 1 66 . 7 SER N N 115.0 0.1 1 67 . 8 SER H H 8.04 0.02 1 68 . 8 SER HA H 3.56 0.02 1 69 . 8 SER HB2 H 4.00 0.02 2 70 . 8 SER HB3 H 4.16 0.02 2 71 . 8 SER C C 176.4 0.1 1 72 . 8 SER CA C 63.2 0.1 1 73 . 8 SER CB C 63.1 0.1 1 74 . 8 SER N N 117.5 0.1 1 75 . 9 PHE H H 7.42 0.02 1 76 . 9 PHE HA H 4.45 0.02 1 77 . 9 PHE HB2 H 3.88 0.02 2 78 . 9 PHE HB3 H 3.14 0.02 2 79 . 9 PHE HD1 H 6.96 0.02 1 80 . 9 PHE HD2 H 6.96 0.02 1 81 . 9 PHE HE1 H 7.11 0.02 1 82 . 9 PHE HE2 H 7.11 0.02 1 83 . 9 PHE HZ H 7.44 0.02 1 84 . 9 PHE C C 178.5 0.1 1 85 . 9 PHE CA C 61.1 0.1 1 86 . 9 PHE CB C 39.3 0.1 1 87 . 9 PHE N N 121.6 0.1 1 88 . 10 GLN H H 8.66 0.02 1 89 . 10 GLN HA H 3.54 0.02 1 90 . 10 GLN HB2 H 1.63 0.02 2 91 . 10 GLN HB3 H 1.78 0.02 2 92 . 10 GLN HG2 H 2.48 0.02 2 93 . 10 GLN HG3 H 2.62 0.02 2 94 . 10 GLN HE21 H 6.65 0.02 2 95 . 10 GLN HE22 H 7.40 0.02 2 96 . 10 GLN C C 179.6 0.1 1 97 . 10 GLN CA C 59.2 0.1 1 98 . 10 GLN CB C 28.4 0.1 1 99 . 10 GLN CG C 35.5 0.1 1 100 . 10 GLN N N 120.1 0.1 1 101 . 10 GLN NE2 N 108.6 0.1 1 102 . 11 VAL H H 8.67 0.02 1 103 . 11 VAL HA H 3.44 0.02 1 104 . 11 VAL HB H 2.16 0.02 1 105 . 11 VAL HG1 H 1.00 0.02 2 106 . 11 VAL HG2 H 1.10 0.02 2 107 . 11 VAL C C 178.6 0.1 1 108 . 11 VAL CA C 68.0 0.1 1 109 . 11 VAL CB C 31.2 0.1 1 110 . 11 VAL CG1 C 23.1 0.1 2 111 . 11 VAL CG2 C 24.3 0.1 2 112 . 11 VAL N N 119.4 0.1 1 113 . 12 ASP H H 8.59 0.02 1 114 . 12 ASP HA H 4.57 0.02 1 115 . 12 ASP HB2 H 2.85 0.02 2 116 . 12 ASP HB3 H 2.65 0.02 2 117 . 12 ASP C C 180.9 0.1 1 118 . 12 ASP CA C 58.0 0.1 1 119 . 12 ASP CB C 40.6 0.1 1 120 . 12 ASP N N 120.3 0.1 1 121 . 13 CYS H H 8.68 0.02 1 122 . 13 CYS HA H 4.09 0.02 1 123 . 13 CYS HB2 H 2.86 0.02 2 124 . 13 CYS HB3 H 2.73 0.02 2 125 . 13 CYS C C 179.0 0.1 1 126 . 13 CYS CA C 64.7 0.1 1 127 . 13 CYS CB C 26.4 0.1 1 128 . 13 CYS N N 119.9 0.1 1 129 . 14 PHE H H 8.40 0.02 1 130 . 14 PHE HA H 4.64 0.02 1 131 . 14 PHE HB2 H 2.85 0.02 2 132 . 14 PHE HB3 H 3.70 0.02 2 133 . 14 PHE HD1 H 6.85 0.02 1 134 . 14 PHE HD2 H 6.85 0.02 1 135 . 14 PHE HE1 H 7.22 0.02 1 136 . 14 PHE HE2 H 7.22 0.02 1 137 . 14 PHE HZ H 7.04 0.02 1 138 . 14 PHE C C 178.2 0.1 1 139 . 14 PHE CA C 62.0 0.1 1 140 . 14 PHE CB C 38.7 0.1 1 141 . 14 PHE N N 121.4 0.1 1 142 . 15 LEU H H 9.37 0.02 1 143 . 15 LEU HA H 3.76 0.02 1 144 . 15 LEU HB2 H 2.08 0.02 2 145 . 15 LEU HB3 H 2.18 0.02 2 146 . 15 LEU HG H 1.44 0.02 1 147 . 15 LEU HD1 H 0.90 0.02 2 148 . 15 LEU HD2 H 1.01 0.02 2 149 . 15 LEU C C 179.6 0.1 1 150 . 15 LEU CA C 57.7 0.1 1 151 . 15 LEU CB C 39.2 0.1 1 152 . 15 LEU CG C 24.4 0.1 1 153 . 15 LEU CD1 C 20.5 0.1 2 154 . 15 LEU CD2 C 20.3 0.1 2 155 . 15 LEU N N 118.2 0.1 1 156 . 16 TRP H H 8.36 0.02 1 157 . 16 TRP HA H 3.68 0.02 1 158 . 16 TRP HB2 H 3.48 0.02 2 159 . 16 TRP HB3 H 3.16 0.02 2 160 . 16 TRP HD1 H 6.93 0.02 1 161 . 16 TRP HE1 H 10.52 0.02 1 162 . 16 TRP HE3 H 7.46 0.02 1 163 . 16 TRP HZ2 H 7.15 0.02 1 164 . 16 TRP HZ3 H 7.17 0.02 1 165 . 16 TRP HH2 H 6.76 0.02 1 166 . 16 TRP C C 178.0 0.1 1 167 . 16 TRP CA C 63.5 0.1 1 168 . 16 TRP CB C 28.7 0.1 1 169 . 16 TRP N N 121.0 0.1 1 170 . 16 TRP NE1 N 128.6 0.1 1 171 . 17 HIS H H 7.80 0.02 1 172 . 17 HIS HA H 4.16 0.02 1 173 . 17 HIS HB2 H 3.44 0.02 2 174 . 17 HIS HB3 H 3.64 0.02 2 175 . 17 HIS HD2 H 7.34 0.02 1 176 . 17 HIS HE1 H 8.41 0.02 1 177 . 17 HIS C C 178.1 0.1 1 178 . 17 HIS CA C 59.6 0.1 1 179 . 17 HIS CB C 27.7 0.1 1 180 . 17 HIS N N 117.7 0.1 1 181 . 18 VAL H H 7.93 0.02 1 182 . 18 VAL HA H 3.10 0.02 1 183 . 18 VAL HB H 2.03 0.02 1 184 . 18 VAL HG1 H 0.43 0.02 2 185 . 18 VAL HG2 H 0.84 0.02 2 186 . 18 VAL C C 178.5 0.1 1 187 . 18 VAL CA C 66.8 0.1 1 188 . 18 VAL CB C 31.1 0.1 1 189 . 18 VAL CG1 C 23.1 0.1 1 190 . 18 VAL CG2 C 23.1 0.1 1 191 . 18 VAL N N 119.0 0.1 1 192 . 19 ARG H H 7.83 0.02 1 193 . 19 ARG HA H 3.67 0.02 1 194 . 19 ARG HB2 H 2.82 0.02 2 195 . 19 ARG HB3 H 2.99 0.02 2 196 . 19 ARG HG2 H 1.73 0.02 1 197 . 19 ARG HG3 H 1.73 0.02 1 198 . 19 ARG HD2 H 1.43 0.02 1 199 . 19 ARG HD3 H 1.43 0.02 1 200 . 19 ARG HE H 5.88 0.02 1 201 . 19 ARG C C 178.6 0.1 1 202 . 19 ARG CA C 59.9 0.1 1 203 . 19 ARG CB C 30.4 0.1 1 204 . 19 ARG CG C 27.0 0.1 1 205 . 19 ARG CD C 39.2 0.1 1 206 . 19 ARG N N 118.8 0.1 1 207 . 19 ARG NE N 82.2 0.1 1 208 . 20 LYS H H 8.24 0.02 1 209 . 20 LYS HA H 3.43 0.02 1 210 . 20 LYS HB2 H 1.60 0.02 1 211 . 20 LYS HB3 H 1.60 0.02 1 212 . 20 LYS HG2 H 0.58 0.02 1 213 . 20 LYS HG3 H 0.58 0.02 1 214 . 20 LYS HD2 H 1.26 0.02 1 215 . 20 LYS HD3 H 1.26 0.02 1 216 . 20 LYS HE2 H 3.04 0.02 1 217 . 20 LYS HE3 H 3.04 0.02 1 218 . 20 LYS C C 179.0 0.1 1 219 . 20 LYS CA C 58.5 0.1 1 220 . 20 LYS CB C 30.6 0.1 1 221 . 20 LYS CG C 30.2 0.1 1 222 . 20 LYS CD C 23.5 0.1 1 223 . 20 LYS CE C 41.4 0.1 1 224 . 20 LYS N N 122.2 0.1 1 225 . 21 GLN H H 7.55 0.02 1 226 . 21 GLN HA H 4.00 0.02 1 227 . 21 GLN HB2 H 2.21 0.02 1 228 . 21 GLN HB3 H 2.21 0.02 1 229 . 21 GLN HG2 H 2.10 0.02 2 230 . 21 GLN HG3 H 2.41 0.02 2 231 . 21 GLN HE21 H 6.80 0.02 2 232 . 21 GLN HE22 H 7.39 0.02 2 233 . 21 GLN C C 179.3 0.1 1 234 . 21 GLN CA C 58.2 0.1 1 235 . 21 GLN CB C 28.9 0.1 1 236 . 21 GLN CG C 36.1 0.1 1 237 . 21 GLN N N 118.4 0.1 1 238 . 21 GLN NE2 N 111.3 0.1 1 239 . 22 VAL H H 7.80 0.02 1 240 . 22 VAL HA H 3.21 0.02 1 241 . 22 VAL HB H 2.62 0.02 1 242 . 22 VAL HG1 H 0.31 0.02 2 243 . 22 VAL HG2 H 0.89 0.02 2 244 . 22 VAL C C 179.0 0.1 1 245 . 22 VAL CA C 66.8 0.1 1 246 . 22 VAL CB C 31.1 0.1 1 247 . 22 VAL CG1 C 21.9 0.1 2 248 . 22 VAL CG2 C 20.5 0.1 2 249 . 22 VAL N N 120.4 0.1 1 250 . 23 VAL H H 7.82 0.02 1 251 . 23 VAL HA H 3.76 0.02 1 252 . 23 VAL HB H 2.33 0.02 1 253 . 23 VAL HG1 H 1.00 0.02 2 254 . 23 VAL HG2 H 1.25 0.02 2 255 . 23 VAL C C 181.1 0.1 1 256 . 23 VAL CA C 65.6 0.1 1 257 . 23 VAL CB C 31.1 0.1 1 258 . 23 VAL CG1 C 21.1 0.1 2 259 . 23 VAL CG2 C 23.7 0.1 2 260 . 23 VAL N N 120.2 0.1 1 261 . 24 ASP H H 8.78 0.02 1 262 . 24 ASP HA H 4.43 0.02 1 263 . 24 ASP HB2 H 2.75 0.02 1 264 . 24 ASP HB3 H 2.75 0.02 1 265 . 24 ASP C C 178.8 0.1 1 266 . 24 ASP CA C 56.8 0.1 1 267 . 24 ASP CB C 39.6 0.1 1 268 . 24 ASP N N 124.8 0.1 1 269 . 25 GLN H H 7.61 0.02 1 270 . 25 GLN HA H 4.32 0.02 1 271 . 25 GLN HB2 H 1.80 0.02 2 272 . 25 GLN HB3 H 2.38 0.02 2 273 . 25 GLN HG2 H 2.42 0.02 1 274 . 25 GLN HG3 H 2.42 0.02 1 275 . 25 GLN HE21 H 6.90 0.02 2 276 . 25 GLN HE22 H 6.85 0.02 2 277 . 25 GLN C C 176.2 0.1 1 278 . 25 GLN CA C 55.3 0.1 1 279 . 25 GLN CB C 27.7 0.1 1 280 . 25 GLN CG C 35.6 0.1 1 281 . 25 GLN N N 117.6 0.1 1 282 . 25 GLN NE2 N 111.4 0.1 1 283 . 26 GLU H H 8.13 0.02 1 284 . 26 GLU HA H 4.12 0.02 1 285 . 26 GLU HB2 H 2.19 0.02 2 286 . 26 GLU HB3 H 2.27 0.02 2 287 . 26 GLU HG2 H 2.10 0.02 1 288 . 26 GLU HG3 H 2.10 0.02 1 289 . 26 GLU C C 177.6 0.1 1 290 . 26 GLU CA C 57.0 0.1 1 291 . 26 GLU CB C 25.5 0.1 1 292 . 26 GLU CG C 32.3 0.1 1 293 . 26 GLU N N 112.7 0.1 1 294 . 27 LEU H H 7.42 0.02 1 295 . 27 LEU HA H 4.37 0.02 1 296 . 27 LEU HB2 H 1.15 0.02 2 297 . 27 LEU HB3 H 1.50 0.02 2 298 . 27 LEU HG H 1.00 0.02 1 299 . 27 LEU HD1 H 0.75 0.02 1 300 . 27 LEU HD2 H 0.75 0.02 1 301 . 27 LEU C C 177.8 0.1 1 302 . 27 LEU CA C 53.7 0.1 1 303 . 27 LEU CB C 44.4 0.1 1 304 . 27 LEU CG C 23.1 0.1 1 305 . 27 LEU CD1 C 22.4 0.1 1 306 . 27 LEU CD2 C 22.4 0.1 1 307 . 27 LEU N N 116.0 0.1 1 308 . 28 GLY H H 7.97 0.02 1 309 . 28 GLY HA2 H 2.87 0.02 2 310 . 28 GLY HA3 H 4.16 0.02 2 311 . 28 GLY C C 175.8 0.1 1 312 . 28 GLY CA C 43.2 0.1 1 313 . 28 GLY N N 105.0 0.1 1 314 . 29 ASP H H 7.90 0.02 1 315 . 29 ASP HA H 4.70 0.02 1 316 . 29 ASP HB2 H 2.17 0.02 2 317 . 29 ASP HB3 H 3.14 0.02 2 318 . 29 ASP C C 177.2 0.1 1 319 . 29 ASP CA C 51.3 0.1 1 320 . 29 ASP CB C 41.2 0.1 1 321 . 29 ASP N N 124.4 0.1 1 322 . 30 ALA H H 8.59 0.02 1 323 . 30 ALA HA H 4.38 0.02 1 324 . 30 ALA HB H 1.53 0.02 1 325 . 30 ALA CA C 56.8 0.1 1 326 . 30 ALA CB C 15.5 0.1 1 327 . 30 ALA N N 120.3 0.1 1 328 . 31 PRO HA H 4.43 0.02 1 329 . 31 PRO HB2 H 2.30 0.02 2 330 . 31 PRO HB3 H 2.03 0.02 2 331 . 31 PRO HG2 H 1.87 0.02 2 332 . 31 PRO HG3 H 1.80 0.02 2 333 . 31 PRO HD2 H 3.66 0.02 2 334 . 31 PRO HD3 H 3.75 0.02 2 335 . 31 PRO C C 179.0 0.1 1 336 . 31 PRO CA C 65.8 0.1 1 337 . 31 PRO CB C 30.6 0.1 1 338 . 31 PRO CG C 29.5 0.1 1 339 . 31 PRO CD C 49.7 0.1 1 340 . 32 PHE H H 8.08 0.02 1 341 . 32 PHE HA H 3.93 0.02 1 342 . 32 PHE HB2 H 3.66 0.02 2 343 . 32 PHE HB3 H 3.36 0.02 2 344 . 32 PHE HD1 H 7.04 0.02 1 345 . 32 PHE HD2 H 7.04 0.02 1 346 . 32 PHE HE1 H 7.55 0.02 1 347 . 32 PHE HE2 H 7.55 0.02 1 348 . 32 PHE HZ H 6.88 0.02 1 349 . 32 PHE C C 180.1 0.1 1 350 . 32 PHE CA C 61.8 0.1 1 351 . 32 PHE CB C 39.7 0.1 1 352 . 32 PHE N N 120.5 0.1 1 353 . 33 LEU H H 8.42 0.02 1 354 . 33 LEU HA H 4.07 0.02 1 355 . 33 LEU HB2 H 1.77 0.02 2 356 . 33 LEU HB3 H 2.04 0.02 2 357 . 33 LEU HG H 1.60 0.02 1 358 . 33 LEU HD1 H 1.00 0.02 2 359 . 33 LEU HD2 H 1.25 0.02 2 360 . 33 LEU C C 179.2 0.1 1 361 . 33 LEU CA C 58.0 0.1 1 362 . 33 LEU CB C 41.5 0.1 1 363 . 33 LEU CG C 27.0 0.1 1 364 . 33 LEU CD1 C 24.8 0.1 2 365 . 33 LEU CD2 C 24.0 0.1 2 366 . 33 LEU N N 123.2 0.1 1 367 . 34 ASP H H 8.46 0.02 1 368 . 34 ASP HA H 4.42 0.02 1 369 . 34 ASP HB2 H 2.79 0.02 1 370 . 34 ASP HB3 H 2.79 0.02 1 371 . 34 ASP C C 179.8 0.1 1 372 . 34 ASP CA C 57.7 0.1 1 373 . 34 ASP CB C 41.2 0.1 1 374 . 34 ASP N N 121.0 0.1 1 375 . 35 ARG H H 8.44 0.02 1 376 . 35 ARG HA H 3.87 0.02 1 377 . 35 ARG HB2 H 1.88 0.02 1 378 . 35 ARG HB3 H 1.88 0.02 1 379 . 35 ARG HG2 H 1.40 0.02 1 380 . 35 ARG HG3 H 1.40 0.02 1 381 . 35 ARG HD2 H 2.98 0.02 2 382 . 35 ARG HD3 H 3.36 0.02 2 383 . 35 ARG HE H 8.16 0.02 1 384 . 35 ARG C C 179.4 0.1 1 385 . 35 ARG CA C 59.8 0.1 1 386 . 35 ARG CB C 30.6 0.1 1 387 . 35 ARG CG C 24.3 0.1 1 388 . 35 ARG CD C 41.9 0.1 1 389 . 35 ARG N N 118.4 0.1 1 390 . 35 ARG NE N 84.0 0.1 1 391 . 36 LEU H H 7.71 0.02 1 392 . 36 LEU HA H 3.87 0.02 1 393 . 36 LEU HB2 H 2.28 0.02 1 394 . 36 LEU HB3 H 2.28 0.02 1 395 . 36 LEU HG H 0.60 0.02 1 396 . 36 LEU HD1 H -0.32 0.02 2 397 . 36 LEU HD2 H 1.43 0.02 2 398 . 36 LEU C C 181.0 0.1 1 399 . 36 LEU CA C 58.7 0.1 1 400 . 36 LEU CB C 42.4 0.1 1 401 . 36 LEU CG C 25.8 0.1 1 402 . 36 LEU CD1 C 23.6 0.1 2 403 . 36 LEU CD2 C 24.3 0.1 2 404 . 36 LEU N N 121.5 0.1 1 405 . 37 ARG H H 8.52 0.02 1 406 . 37 ARG HA H 4.27 0.02 1 407 . 37 ARG HB2 H 1.98 0.02 2 408 . 37 ARG HB3 H 2.08 0.02 2 409 . 37 ARG HG2 H 1.76 0.02 1 410 . 37 ARG HG3 H 1.76 0.02 1 411 . 37 ARG HD2 H 3.38 0.02 2 412 . 37 ARG HD3 H 3.05 0.02 2 413 . 37 ARG HE H 7.38 0.02 1 414 . 37 ARG C C 180.3 0.1 1 415 . 37 ARG CA C 59.4 0.1 1 416 . 37 ARG CB C 30.1 0.1 1 417 . 37 ARG CG C 33.0 0.1 1 418 . 37 ARG CD C 43.6 0.1 1 419 . 37 ARG N N 121.2 0.1 1 420 . 37 ARG NE N 84.8 0.1 1 421 . 38 ARG H H 8.52 0.02 1 422 . 38 ARG HA H 4.07 0.02 1 423 . 38 ARG HB2 H 1.91 0.02 2 424 . 38 ARG HB3 H 1.80 0.02 2 425 . 38 ARG HG2 H 1.60 0.02 2 426 . 38 ARG HG3 H 1.38 0.02 2 427 . 38 ARG HD2 H 3.28 0.02 2 428 . 38 ARG HD3 H 2.95 0.02 2 429 . 38 ARG HE H 7.49 0.02 1 430 . 38 ARG C C 180.4 0.1 1 431 . 38 ARG CA C 59.4 0.1 1 432 . 38 ARG CB C 30.1 0.1 1 433 . 38 ARG CG C 26.7 0.1 1 434 . 38 ARG CD C 43.1 0.1 1 435 . 38 ARG N N 121.5 0.1 1 436 . 38 ARG NE N 85.9 0.1 1 437 . 39 ASP H H 8.77 0.02 1 438 . 39 ASP HA H 4.63 0.02 1 439 . 39 ASP HB2 H 2.98 0.02 1 440 . 39 ASP HB3 H 2.98 0.02 1 441 . 39 ASP C C 178.6 0.1 1 442 . 39 ASP CA C 56.1 0.1 1 443 . 39 ASP CB C 40.0 0.1 1 444 . 39 ASP N N 120.2 0.1 1 445 . 40 GLN H H 8.27 0.02 1 446 . 40 GLN HA H 3.15 0.02 1 447 . 40 GLN HB2 H 2.31 0.02 2 448 . 40 GLN HB3 H 2.40 0.02 2 449 . 40 GLN HG2 H 1.75 0.02 2 450 . 40 GLN HG3 H 1.96 0.02 2 451 . 40 GLN HE21 H 6.89 0.02 2 452 . 40 GLN HE22 H 7.19 0.02 2 453 . 40 GLN C C 178.8 0.1 1 454 . 40 GLN CA C 59.2 0.1 1 455 . 40 GLN CB C 28.3 0.1 1 456 . 40 GLN CG C 33.0 0.1 1 457 . 40 GLN N N 122.2 0.1 1 458 . 40 GLN NE2 N 111.8 0.1 1 459 . 41 LYS H H 7.11 0.02 1 460 . 41 LYS HA H 4.01 0.02 1 461 . 41 LYS HB2 H 1.99 0.02 2 462 . 41 LYS HB3 H 1.73 0.02 2 463 . 41 LYS HG2 H 1.45 0.02 2 464 . 41 LYS HG3 H 1.62 0.02 2 465 . 41 LYS HD2 H 1.67 0.02 1 466 . 41 LYS HD3 H 1.67 0.02 1 467 . 41 LYS HE2 H 2.95 0.02 1 468 . 41 LYS HE3 H 2.95 0.02 1 469 . 41 LYS C C 180.3 0.1 1 470 . 41 LYS CA C 59.2 0.1 1 471 . 41 LYS CB C 32.2 0.1 1 472 . 41 LYS CG C 25.6 0.1 1 473 . 41 LYS CD C 33.8 0.1 1 474 . 41 LYS CE C 41.9 0.1 1 475 . 41 LYS N N 117.4 0.1 1 476 . 42 SER H H 7.87 0.02 1 477 . 42 SER HA H 4.35 0.02 1 478 . 42 SER HB2 H 4.03 0.02 1 479 . 42 SER HB3 H 4.03 0.02 1 480 . 42 SER C C 179.0 0.1 1 481 . 42 SER CA C 60.6 0.1 1 482 . 42 SER CB C 62.7 0.1 1 483 . 42 SER N N 115.8 0.1 1 484 . 43 LEU H H 8.88 0.02 1 485 . 43 LEU HA H 4.17 0.02 1 486 . 43 LEU HB2 H 1.23 0.02 1 487 . 43 LEU HB3 H 1.75 0.02 1 488 . 43 LEU HG H 1.60 0.02 1 489 . 43 LEU HD1 H 0.85 0.02 2 490 . 43 LEU HD2 H 0.56 0.02 2 491 . 43 LEU C C 179.9 0.1 1 492 . 43 LEU CA C 58.2 0.1 1 493 . 43 LEU CB C 41.6 0.1 1 494 . 43 LEU CG C 27.1 0.1 1 495 . 43 LEU CD1 C 22.8 0.1 2 496 . 43 LEU CD2 C 24.5 0.1 2 497 . 43 LEU N N 123.6 0.1 1 498 . 44 ARG H H 7.83 0.02 1 499 . 44 ARG HA H 4.09 0.02 1 500 . 44 ARG HB2 H 1.79 0.02 2 501 . 44 ARG HB3 H 1.92 0.02 2 502 . 44 ARG HG2 H 1.58 0.02 1 503 . 44 ARG HG3 H 1.58 0.02 1 504 . 44 ARG HD2 H 3.26 0.02 2 505 . 44 ARG HD3 H 2.92 0.02 2 506 . 44 ARG HE H 7.29 0.02 1 507 . 44 ARG C C 180.5 0.1 1 508 . 44 ARG CA C 59.4 0.1 1 509 . 44 ARG CB C 29.7 0.1 1 510 . 44 ARG CG C 27.1 0.1 1 511 . 44 ARG CD C 43.1 0.1 1 512 . 44 ARG N N 119.1 0.1 1 513 . 44 ARG NE N 84.6 0.1 1 514 . 45 GLY H H 7.84 0.02 1 515 . 45 GLY HA2 H 3.98 0.02 1 516 . 45 GLY HA3 H 3.98 0.02 1 517 . 45 GLY C C 178.0 0.1 1 518 . 45 GLY CA C 46.8 0.1 1 519 . 45 GLY N N 107.2 0.1 1 520 . 46 ARG H H 8.47 0.02 1 521 . 46 ARG HA H 3.99 0.02 1 522 . 46 ARG HB2 H 1.90 0.02 1 523 . 46 ARG HB3 H 1.90 0.02 1 524 . 46 ARG HG2 H 1.50 0.02 2 525 . 46 ARG HG3 H 1.59 0.02 2 526 . 46 ARG HD2 H 3.41 0.02 2 527 . 46 ARG HD3 H 3.04 0.02 2 528 . 46 ARG HE H 7.66 0.02 1 529 . 46 ARG C C 179.3 0.1 1 530 . 46 ARG CA C 58.9 0.1 1 531 . 46 ARG CB C 31.9 0.1 1 532 . 46 ARG CG C 27.2 0.1 1 533 . 46 ARG CD C 43.6 0.1 1 534 . 46 ARG N N 123.7 0.1 1 535 . 46 ARG NE N 83.0 0.1 1 536 . 47 GLY H H 8.94 0.02 1 537 . 47 GLY HA2 H 3.06 0.02 2 538 . 47 GLY HA3 H 3.72 0.02 2 539 . 47 GLY C C 177.5 0.1 1 540 . 47 GLY CA C 47.8 0.1 1 541 . 47 GLY N N 107.3 0.1 1 542 . 48 SER H H 7.84 0.02 1 543 . 48 SER HA H 4.27 0.02 1 544 . 48 SER HB2 H 4.04 0.02 1 545 . 48 SER HB3 H 4.04 0.02 1 546 . 48 SER C C 178.6 0.1 1 547 . 48 SER CA C 61.0 0.1 1 548 . 48 SER CB C 62.7 0.1 1 549 . 48 SER N N 116.2 0.1 1 550 . 49 THR H H 7.95 0.02 1 551 . 49 THR HA H 3.94 0.02 1 552 . 49 THR HB H 4.17 0.02 1 553 . 49 THR HG2 H 1.19 0.02 1 554 . 49 THR C C 177.6 0.1 1 555 . 49 THR CA C 65.8 0.1 1 556 . 49 THR CB C 68.8 0.1 1 557 . 49 THR CG2 C 21.3 0.1 1 558 . 49 THR N N 118.5 0.1 1 559 . 50 LEU H H 7.90 0.02 1 560 . 50 LEU HA H 4.12 0.02 1 561 . 50 LEU HB2 H 0.89 0.02 2 562 . 50 LEU HB3 H 1.26 0.02 2 563 . 50 LEU HG H 1.55 0.02 1 564 . 50 LEU HD1 H 0.29 0.02 2 565 . 50 LEU HD2 H 0.72 0.02 2 566 . 50 LEU C C 178.2 0.1 1 567 . 50 LEU CA C 55.1 0.1 1 568 . 50 LEU CB C 42.9 0.1 1 569 . 50 LEU CG C 26.4 0.1 1 570 . 50 LEU CD1 C 21.9 0.1 2 571 . 50 LEU CD2 C 22.3 0.1 2 572 . 50 LEU N N 118.6 0.1 1 573 . 51 GLY H H 7.79 0.02 1 574 . 51 GLY HA2 H 3.90 0.02 1 575 . 51 GLY HA3 H 3.90 0.02 1 576 . 51 GLY C C 176.5 0.1 1 577 . 51 GLY CA C 45.8 0.1 1 578 . 51 GLY N N 109.1 0.1 1 579 . 52 LEU H H 7.77 0.02 1 580 . 52 LEU HA H 4.69 0.02 1 581 . 52 LEU HB2 H 1.26 0.02 2 582 . 52 LEU HB3 H 1.55 0.02 2 583 . 52 LEU HG H 1.38 0.02 1 584 . 52 LEU HD1 H 0.89 0.02 1 585 . 52 LEU HD2 H 0.89 0.02 1 586 . 52 LEU C C 176.8 0.1 1 587 . 52 LEU CA C 52.7 0.1 1 588 . 52 LEU CB C 40.7 0.1 1 589 . 52 LEU CG C 27.2 0.1 1 590 . 52 LEU CD1 C 22.1 0.1 1 591 . 52 LEU CD2 C 22.1 0.1 1 592 . 52 LEU N N 118.7 0.1 1 593 . 53 ASN H H 8.40 0.02 1 594 . 53 ASN HA H 4.75 0.02 1 595 . 53 ASN HB2 H 2.73 0.02 2 596 . 53 ASN HB3 H 2.93 0.02 2 597 . 53 ASN HD21 H 7.27 0.02 2 598 . 53 ASN HD22 H 7.91 0.02 2 599 . 53 ASN C C 177.8 0.1 1 600 . 53 ASN CA C 52.7 0.1 1 601 . 53 ASN CB C 40.7 0.1 1 602 . 53 ASN N N 121.5 0.1 1 603 . 53 ASN ND2 N 114.9 0.1 1 604 . 54 ILE H H 9.10 0.02 1 605 . 54 ILE HA H 3.84 0.02 1 606 . 54 ILE HB H 1.78 0.02 1 607 . 54 ILE HG12 H 1.31 0.02 1 608 . 54 ILE HG13 H 1.31 0.02 1 609 . 54 ILE HG2 H 0.77 0.02 1 610 . 54 ILE HD1 H 0.88 0.02 1 611 . 54 ILE C C 179.5 0.1 1 612 . 54 ILE CA C 65.1 0.1 1 613 . 54 ILE CB C 38.4 0.1 1 614 . 54 ILE CG1 C 22.5 0.1 1 615 . 54 ILE CG2 C 22.4 0.1 1 616 . 54 ILE CD1 C 12.9 0.1 1 617 . 54 ILE N N 128.0 0.1 1 618 . 55 GLU H H 8.76 0.02 1 619 . 55 GLU HA H 3.99 0.02 1 620 . 55 GLU HB2 H 2.06 0.02 2 621 . 55 GLU HB3 H 2.21 0.02 2 622 . 55 GLU HG2 H 2.25 0.02 2 623 . 55 GLU HG3 H 2.29 0.02 2 624 . 55 GLU C C 179.8 0.1 1 625 . 55 GLU CA C 60.6 0.1 1 626 . 55 GLU CB C 28.3 0.1 1 627 . 55 GLU CG C 36.2 0.1 1 628 . 55 GLU N N 126.0 0.1 1 629 . 56 ALA H H 8.42 0.02 1 630 . 56 ALA HA H 4.21 0.02 1 631 . 56 ALA HB H 1.55 0.02 1 632 . 56 ALA C C 181.1 0.1 1 633 . 56 ALA CA C 54.7 0.1 1 634 . 56 ALA CB C 18.1 0.1 1 635 . 56 ALA N N 122.8 0.1 1 636 . 57 ALA H H 8.36 0.02 1 637 . 57 ALA HA H 4.33 0.02 1 638 . 57 ALA HB H 1.58 0.02 1 639 . 57 ALA C C 180.1 0.1 1 640 . 57 ALA CA C 54.9 0.1 1 641 . 57 ALA CB C 19.7 0.1 1 642 . 57 ALA N N 121.2 0.1 1 643 . 58 THR H H 8.46 0.02 1 644 . 58 THR HA H 3.69 0.02 1 645 . 58 THR HB H 4.43 0.02 1 646 . 58 THR HG2 H 1.20 0.02 1 647 . 58 THR C C 177.0 0.1 1 648 . 58 THR CA C 67.4 0.1 1 649 . 58 THR CB C 68.7 0.1 1 650 . 58 THR CG2 C 20.5 0.1 1 651 . 58 THR N N 115.5 0.1 1 652 . 59 HIS H H 7.35 0.02 1 653 . 59 HIS HA H 4.35 0.02 1 654 . 59 HIS HB2 H 3.32 0.02 2 655 . 59 HIS HB3 H 3.37 0.02 2 656 . 59 HIS HD2 H 7.25 0.02 1 657 . 59 HIS HE1 H 8.44 0.02 1 658 . 59 HIS C C 178.3 0.1 1 659 . 59 HIS CA C 58.4 0.1 1 660 . 59 HIS CB C 28.3 0.1 1 661 . 59 HIS N N 118.4 0.1 1 662 . 60 VAL H H 7.47 0.02 1 663 . 60 VAL HA H 3.73 0.02 1 664 . 60 VAL HB H 1.76 0.02 1 665 . 60 VAL HG1 H 0.87 0.02 2 666 . 60 VAL HG2 H 1.05 0.02 2 667 . 60 VAL C C 179.4 0.1 1 668 . 60 VAL CA C 65.8 0.1 1 669 . 60 VAL CB C 31.9 0.1 1 670 . 60 VAL CG1 C 21.4 0.1 1 671 . 60 VAL CG2 C 21.4 0.1 1 672 . 60 VAL N N 119.7 0.1 1 673 . 61 GLY H H 8.73 0.02 1 674 . 61 GLY HA2 H 3.35 0.02 1 675 . 61 GLY HA3 H 3.94 0.02 1 676 . 61 GLY C C 176.2 0.1 1 677 . 61 GLY CA C 46.6 0.1 1 678 . 61 GLY N N 108.0 0.1 1 679 . 62 LYS H H 7.77 0.02 1 680 . 62 LYS HA H 1.76 0.02 1 681 . 62 LYS HB2 H 1.50 0.02 2 682 . 62 LYS HB3 H 1.19 0.02 2 683 . 62 LYS HG2 H 0.85 0.02 2 684 . 62 LYS HG3 H 1.07 0.02 2 685 . 62 LYS HD2 H 0.70 0.02 1 686 . 62 LYS HD3 H 0.70 0.02 1 687 . 62 LYS HE2 H 2.91 0.02 1 688 . 62 LYS HE3 H 2.91 0.02 1 689 . 62 LYS C C 178.4 0.1 1 690 . 62 LYS CA C 59.2 0.1 1 691 . 62 LYS CB C 32.5 0.1 1 692 . 62 LYS CG C 27.3 0.1 1 693 . 62 LYS CD C 28.8 0.1 1 694 . 62 LYS CE C 41.2 0.1 1 695 . 62 LYS N N 121.8 0.1 1 696 . 63 GLN H H 6.84 0.02 1 697 . 63 GLN HA H 3.92 0.02 1 698 . 63 GLN HB2 H 2.05 0.02 2 699 . 63 GLN HB3 H 2.28 0.02 2 700 . 63 GLN HG2 H 2.28 0.02 2 701 . 63 GLN HG3 H 2.39 0.02 2 702 . 63 GLN HE21 H 6.81 0.02 2 703 . 63 GLN HE22 H 7.25 0.02 2 704 . 63 GLN C C 180.0 0.1 1 705 . 63 GLN CA C 58.2 0.1 1 706 . 63 GLN CB C 28.1 0.1 1 707 . 63 GLN CG C 36.1 0.1 1 708 . 63 GLN N N 116.6 0.1 1 709 . 63 GLN NE2 N 111.1 0.1 1 710 . 64 ILE H H 8.00 0.02 1 711 . 64 ILE HA H 3.51 0.02 1 712 . 64 ILE HB H 1.71 0.02 1 713 . 64 ILE HG12 H 1.06 0.02 2 714 . 64 ILE HG13 H 1.54 0.02 2 715 . 64 ILE HG2 H 0.88 0.02 1 716 . 64 ILE HD1 H 0.67 0.02 1 717 . 64 ILE C C 179.3 0.1 1 718 . 64 ILE CA C 64.9 0.1 1 719 . 64 ILE CB C 38.9 0.1 1 720 . 64 ILE CG1 C 21.5 0.1 1 721 . 64 ILE CG2 C 21.4 0.1 1 722 . 64 ILE CD1 C 16.0 0.1 1 723 . 64 ILE N N 120.1 0.1 1 724 . 65 VAL H H 8.35 0.02 1 725 . 65 VAL HA H 3.44 0.02 1 726 . 65 VAL HB H 2.06 0.02 1 727 . 65 VAL HG1 H 0.81 0.02 2 728 . 65 VAL HG2 H 1.03 0.02 2 729 . 65 VAL C C 178.5 0.1 1 730 . 65 VAL CA C 66.8 0.1 1 731 . 65 VAL CB C 31.1 0.1 1 732 . 65 VAL CG1 C 22.8 0.1 2 733 . 65 VAL CG2 C 23.5 0.1 2 734 . 65 VAL N N 118.5 0.1 1 735 . 66 GLU H H 8.91 0.02 1 736 . 66 GLU HA H 3.87 0.02 1 737 . 66 GLU HB2 H 1.86 0.02 2 738 . 66 GLU HB3 H 2.07 0.02 2 739 . 66 GLU HG2 H 2.13 0.02 2 740 . 66 GLU HG3 H 2.44 0.02 2 741 . 66 GLU C C 179.6 0.1 1 742 . 66 GLU CA C 60.1 0.1 1 743 . 66 GLU CB C 28.6 0.1 1 744 . 66 GLU CG C 36.5 0.1 1 745 . 66 GLU N N 119.0 0.1 1 746 . 67 LYS H H 7.39 0.02 1 747 . 67 LYS HA H 4.01 0.02 1 748 . 67 LYS HB2 H 1.87 0.02 2 749 . 67 LYS HB3 H 2.00 0.02 2 750 . 67 LYS HG2 H 1.35 0.02 2 751 . 67 LYS HG3 H 1.45 0.02 2 752 . 67 LYS HD2 H 1.67 0.02 1 753 . 67 LYS HD3 H 1.67 0.02 1 754 . 67 LYS HE2 H 2.98 0.02 1 755 . 67 LYS HE3 H 2.98 0.02 1 756 . 67 LYS C C 179.4 0.1 1 757 . 67 LYS CA C 59.6 0.1 1 758 . 67 LYS CB C 32.2 0.1 1 759 . 67 LYS CG C 24.5 0.1 1 760 . 67 LYS CD C 29.2 0.1 1 761 . 67 LYS CE C 39.2 0.1 1 762 . 67 LYS N N 119.5 0.1 1 763 . 68 ILE H H 7.42 0.02 1 764 . 68 ILE HA H 3.77 0.02 1 765 . 68 ILE HB H 2.00 0.02 1 766 . 68 ILE HG12 H 1.05 0.02 1 767 . 68 ILE HG13 H 1.05 0.02 1 768 . 68 ILE HG2 H 0.81 0.02 1 769 . 68 ILE HD1 H 0.62 0.02 1 770 . 68 ILE C C 180.0 0.1 1 771 . 68 ILE CA C 64.2 0.1 1 772 . 68 ILE CB C 38.1 0.1 1 773 . 68 ILE CG1 C 22.7 0.1 1 774 . 68 ILE CG2 C 16.8 0.1 1 775 . 68 ILE CD1 C 13.8 0.1 1 776 . 68 ILE N N 120.1 0.1 1 777 . 69 LEU H H 8.45 0.02 1 778 . 69 LEU HA H 4.21 0.02 1 779 . 69 LEU HB2 H 1.70 0.02 2 780 . 69 LEU HB3 H 1.87 0.02 2 781 . 69 LEU HG H 1.01 0.02 1 782 . 69 LEU HD1 H 0.56 0.02 2 783 . 69 LEU HD2 H 0.81 0.02 2 784 . 69 LEU C C 180.1 0.1 1 785 . 69 LEU CA C 57.0 0.1 1 786 . 69 LEU CB C 41.0 0.1 1 787 . 69 LEU CG C 22.7 0.1 1 788 . 69 LEU CD1 C 16.4 0.1 2 789 . 69 LEU CD2 C 16.0 0.1 2 790 . 69 LEU N N 119.0 0.1 1 791 . 70 LYS H H 7.92 0.02 1 792 . 70 LYS HA H 4.16 0.02 1 793 . 70 LYS HB2 H 1.95 0.02 1 794 . 70 LYS HB3 H 1.95 0.02 1 795 . 70 LYS HG2 H 1.51 0.02 2 796 . 70 LYS HG3 H 1.59 0.02 2 797 . 70 LYS HD2 H 1.63 0.02 1 798 . 70 LYS HD3 H 1.63 0.02 1 799 . 70 LYS HE2 H 2.97 0.02 1 800 . 70 LYS HE3 H 2.97 0.02 1 801 . 70 LYS C C 179.1 0.1 1 802 . 70 LYS CA C 58.0 0.1 1 803 . 70 LYS CB C 32.6 0.1 1 804 . 70 LYS CG C 25.0 0.1 1 805 . 70 LYS CD C 24.6 0.1 1 806 . 70 LYS CE C 41.5 0.1 1 807 . 70 LYS N N 119.5 0.1 1 808 . 71 GLU H H 7.75 0.02 1 809 . 71 GLU HA H 4.26 0.02 1 810 . 71 GLU HB2 H 2.07 0.02 2 811 . 71 GLU HB3 H 2.14 0.02 2 812 . 71 GLU HG2 H 2.28 0.02 2 813 . 71 GLU HG3 H 2.48 0.02 2 814 . 71 GLU C C 178.0 0.1 1 815 . 71 GLU CA C 56.6 0.1 1 816 . 71 GLU CB C 29.2 0.1 1 817 . 71 GLU CG C 35.3 0.1 1 818 . 71 GLU N N 118.0 0.1 1 819 . 72 GLU H H 7.74 0.02 1 820 . 72 GLU HA H 4.49 0.02 1 821 . 72 GLU HB2 H 2.14 0.02 1 822 . 72 GLU HB3 H 2.14 0.02 1 823 . 72 GLU HG2 H 2.41 0.02 1 824 . 72 GLU HG3 H 2.41 0.02 1 825 . 72 GLU C C 177.2 0.1 1 826 . 72 GLU CA C 55.9 0.1 1 827 . 72 GLU CB C 30.1 0.1 1 828 . 72 GLU CG C 35.4 0.1 1 829 . 72 GLU N N 119.3 0.1 1 830 . 73 SER H H 7.90 0.02 1 831 . 73 SER HA H 4.32 0.02 1 832 . 73 SER HB2 H 3.83 0.02 2 833 . 73 SER HB3 H 3.90 0.02 2 834 . 73 SER CA C 59.9 0.1 1 835 . 73 SER CB C 64.7 0.1 1 836 . 73 SER N N 122.6 0.1 1 stop_ save_